Articles you may be interested inPhase separation and electronic structure of Hf-silicate film as a function of composition Appl. Phys. Lett. 87, 242906 (2005); 10.1063/1.2143132 Raman spectroscopic investigation of the structure of silicate glasses. IV. Alkali-silico-germanate glasses J. Chem. Phys. 95, 776 (1991); 10.1063/1.461084 Molecular dynamics simulation of alkalisilicate glass structures Alkali motion in alkali silicate glassRaman spectroscopic investigation of the structure of silicate glasses. I. The binary alkali silicates ~c:asonable and significant structural differences between potassium silicate glass and sodium silicate glass can be revealed by molecular dynamics computer simulations.The differences in their immiscibility behavior reflect these structural differences. The simulation results are consistent with the experimental observations of many researchers that the variation in the number of nonbridging oxygens per silicon decreases in the order Li> Na> K. The distribution of the silicon species with various numbers of nonbridging oxygens is a reflection of the degree of homogeneity in the distribution of the modifier cation and nonbridging oxygen clusters. Nanoscale inhomogeneity seems to be an inherent nature of alkali silicate glasses.(2) 3634

Atomistic scale computer simulations can provide a more detailed understanding of the structure of glasses. Our results on sodium silicate glasses show that sodium ions are associated with nonbridging oxygens and that the sodium ions and nonbridging oxygens tend to aggregate to form silica rich regions and alkali rich regions. Interatomic distances of our simulated glasses are in good agreement with experimental results. O–Si–O bond angles are centered around 109° with narrow distributions. Si–O–Si bond angles are broadly distributed from 120° to 180° with an average of about 153°.

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